Changes - sire - Molecular modelling and simulation package

1563 - 1539 of 1563 Older ›

Committed Changes

Rev	Commit log message	Date	Author
r1563	Cleaning code - free energy calculation in progress	May 25 (2 days ago)	nividic73
r1562	Free energy calculation . The code is still in testing and debugging stage	May 18, 2012	nividic73
r1561	I've fixed bugs that caused the GUI to behave in an inconsistent manner. Adding and editing options now works as expected, as does undo and redo. However, removing an option causes a segfault.	May 14, 2012	chryswoods
r1560	revert to a previous version	May 14, 2012	nividic73
r1559	Rolled back to 1551	May 14, 2012	nividic73
r1558	I've rewritten the AddPage widget, both cleaning up the code and fixing the crash when an option is added. Now I am tracking down the source of a bug in updating option values...	May 14, 2012	chryswoods
r1557	This version is still broken. Fixe a little bug in the custom force field	May 11, 2012	nividic73
r1556	OpenMM classes exposed using Python	May 11, 2012	nividic73
r1555	This version is broken I'm tryng to add the soft core potential	May 11, 2012	nividic73
r1554	Fixed a bug in openmmintegrator where the velocities where not correctly converted from OpenMM ( nanometer per picosecond ) to Sire ( angstrom per AKMA time). With no cutoff and a huge box (effectively no PBC), the kinetic and potential energies of Sire and OpenMM are identical.	May 9, 2012	julienmich
r1553	Merged Gaetano's branch into mine.	May 9, 2012	julienmich
r1552	decommented the line related to the exclusion exclusion list	May 9, 2012	nividic73
r1551	Files modified to add support to OpenMM	May 8, 2012	nividic73
r1550	OpenMM integrator files	May 8, 2012	nividic73
r1549	Confirming it works...	May 4, 2012	nividic73
r1548	Testing Gaetano can commit (kind of important!)	May 4, 2012	nividic73
r1547	Added a branch of python2 for Gaetano	May 4, 2012	chryswoods
r1546	Added a branch of corelib for Gaetano	May 4, 2012	chryswoods
r1545	I've made it a little prettier - I am happier	May 1, 2012	chryswoods
r1544	I've got the GUI looking a little more pretty, but am still not happy..	May 1, 2012	chryswoods
r1543	Yes, I can finally see the widgets. I had forgotten to make sure that the top page was a QGraphicsItem child of the view, so, as it was not a child, it was not added to the graphics scene and drawn!	Apr 30, 2012	chryswoods
r1542	I'm now custom-drawing most of the widgets so that they can be laid out correctly and look pretty. So far, I've got nice custom buttons, and a rounded-bordered view, but the buttons are not appearing in the view for some unknown reason...	Apr 30, 2012	chryswoods
r1541	Fixed a small bug where the button was not correctly repainting when the text changed	Apr 20, 2012	chryswoods
r1540	I've fixed some of my layout problems by cleaning the code and replacing QWidget type widgets with custom widgets based on QGraphicsWidget. Things seem to work, but the PageView is not drawing its pages in the right place, which is messing things up a bit...	Apr 20, 2012	chryswoods
r1539	I've managed to break things a little as I move all layout code into Page, and have Page manage setting the geometry of the main widget assigned to that page.	Apr 20, 2012	chryswoods

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